3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one

C14H17NO2 — CID 3117151

IUPAC3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
SMILESCc1c(CCC(C)O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C14H17NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyDBZFTHHCDWEPLE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.15
Rot. Bonds3

About 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one

3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one (PubChem CID 3117151) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
PubChem CID3117151
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
SMILESCc1c(CCC(C)O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C14H17NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyDBZFTHHCDWEPLE-UHFFFAOYSA-N
XLogP2.15
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one (CID 3117151) is 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one is Cc1c(CCC(C)O)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one?
The InChIKey is DBZFTHHCDWEPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one?
3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3117151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).